REMARK  Name = BDB013852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557  -0.267   1.307  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.868  -0.709   1.038  0.00  0.00    -0.027 A 
ATOM      3  C   LIG    1       -1.902   0.216   0.764  0.00  0.00    -0.039 A 
ATOM      4  C   LIG    1       -3.199  -0.301   0.563  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1       -3.476  -1.679   0.583  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.432  -2.571   0.833  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.143  -2.091   1.056  0.00  0.00    +0.006 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.884  -2.176   0.371  0.00  0.00    +0.417 C 
ATOM      9  F   LIG    1       -4.940  -3.451  -0.107  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -5.610  -2.178   1.523  0.00  0.00    -0.166 F 
ATOM     11  F   LIG    1       -5.591  -1.418  -0.514  0.00  0.00    -0.166 F 
ENDBRANCH   5   8
BRANCH   3  12
ATOM     12  C   LIG    1       -1.673   1.714   0.717  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -2.297   2.561  -0.370  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -0.822   2.311  -0.381  0.00  0.00    +0.009 C 
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1        1.382  -0.553   0.138  0.00  0.00    -0.338 N 
ATOM     16  H   LIG    1        0.874  -0.369  -0.737  0.00  0.00    +0.146 HD
BRANCH  15  18
ATOM     17  C   LIG    1        3.341   0.233  -1.133  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1        2.688  -0.035   0.088  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1        3.486   0.107   1.227  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1        4.776   0.528   1.241  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1        5.340   0.795   0.050  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        4.676   0.660  -1.152  0.00  0.00    +0.036 A 
BRANCH  17  24
ATOM     23  O   LIG    1        1.395   0.024  -2.547  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        2.603   0.110  -2.417  0.00  0.00    +0.339 C 
BRANCH  24  25
ATOM     25  O   LIG    1        3.415   0.103  -3.491  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        2.802  -0.004  -4.250  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 7